2-(2-methoxyacetyl)-1-(4-methoxyphenyl)-5-(3-nitrophenyl)-4,6-dioxo-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxamide

C23H22N4O8 — CID 23741800

IUPAC2-(2-methoxyacetyl)-1-(4-methoxyphenyl)-5-(3-nitrophenyl)-4,6-dioxo-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxamide
SMILESCOCC(=O)N1C(C(N)=O)C2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)C2C1c1ccc(OC)cc1
InChIInChI=1S/C23H22N4O8/c1-34-11-16(28)26-19(12-6-8-15(35-2)9-7-12)17-18(20(26)21(24)29)23(31)25(22(17)30)13-4-3-5-14(10-13)27(32)33/h3-10,17-20H,11H2,1-2H3,(H2,24,29)
InChIKeyMEKMEZLNCSTDOU-UHFFFAOYSA-N
MW482.45 g/mol
LogP0.79
Rot. Bonds7

About 2-(2-methoxyacetyl)-1-(4-methoxyphenyl)-5-(3-nitrophenyl)-4,6-dioxo-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxamide

2-(2-methoxyacetyl)-1-(4-methoxyphenyl)-5-(3-nitrophenyl)-4,6-dioxo-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxamide (PubChem CID 23741800) has the molecular formula C23H22N4O8 and a molecular weight of 482.45 g/mol. Its IUPAC name is 2-(2-methoxyacetyl)-1-(4-methoxyphenyl)-5-(3-nitrophenyl)-4,6-dioxo-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxamide.

Molecular Properties

Compound Name2-(2-methoxyacetyl)-1-(4-methoxyphenyl)-5-(3-nitrophenyl)-4,6-dioxo-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxamide
PubChem CID23741800
Molecular FormulaC23H22N4O8
Molecular Weight482.45 g/mol
Exact Mass482.14
IUPAC Name2-(2-methoxyacetyl)-1-(4-methoxyphenyl)-5-(3-nitrophenyl)-4,6-dioxo-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxamide
SMILESCOCC(=O)N1C(C(N)=O)C2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)C2C1c1ccc(OC)cc1
InChIInChI=1S/C23H22N4O8/c1-34-11-16(28)26-19(12-6-8-15(35-2)9-7-12)17-18(20(26)21(24)29)23(31)25(22(17)30)13-4-3-5-14(10-13)27(32)33/h3-10,17-20H,11H2,1-2H3,(H2,24,29)
InChIKeyMEKMEZLNCSTDOU-UHFFFAOYSA-N
XLogP0.79
TPSA162.38 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.45
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyacetyl)-1-(4-methoxyphenyl)-5-(3-nitrophenyl)-4,6-dioxo-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxamide?
The IUPAC name of 2-(2-methoxyacetyl)-1-(4-methoxyphenyl)-5-(3-nitrophenyl)-4,6-dioxo-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxamide (CID 23741800) is 2-(2-methoxyacetyl)-1-(4-methoxyphenyl)-5-(3-nitrophenyl)-4,6-dioxo-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxamide.
What is the SMILES notation for 2-(2-methoxyacetyl)-1-(4-methoxyphenyl)-5-(3-nitrophenyl)-4,6-dioxo-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxamide?
The canonical SMILES for 2-(2-methoxyacetyl)-1-(4-methoxyphenyl)-5-(3-nitrophenyl)-4,6-dioxo-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxamide is COCC(=O)N1C(C(N)=O)C2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)C2C1c1ccc(OC)cc1.
What is the InChIKey of 2-(2-methoxyacetyl)-1-(4-methoxyphenyl)-5-(3-nitrophenyl)-4,6-dioxo-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxamide?
The InChIKey is MEKMEZLNCSTDOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O8/c1-34-11-16(28)26-19(12-6-8-15(35-2)9-7-12)17-18(20(26)21(24)29)23(31)25(22(17)30)13-4-3-5-14(10-13)27(32)33/h3-10,17-20H,11H2,1-2H3,(H2,24,29).
What are the key properties of 2-(2-methoxyacetyl)-1-(4-methoxyphenyl)-5-(3-nitrophenyl)-4,6-dioxo-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxamide?
2-(2-methoxyacetyl)-1-(4-methoxyphenyl)-5-(3-nitrophenyl)-4,6-dioxo-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxamide has a molecular weight of 482.45 g/mol, XLogP of 0.79, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyacetyl)-1-(4-methoxyphenyl)-5-(3-nitrophenyl)-4,6-dioxo-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxamide is sourced from PubChem (CID 23741800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).